UCSF

ZINC05860068

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 15 Yes

CAS Number: 140-66-9

Other Names:

MFCD03283580

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.06 0.98 -3.15 1 1 0 20 206.329 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )